기본 정보
- CAS
262607-22-7- 표준 SMILES
CC1(C)C(=CC=C2CCC(C=CC3=[N+](c4ccccc4)c4ccccc4C3(C)C)=C2c2cccc3ccccc23)N(c2ccccc2)c2ccccc21.[O-][Cl+3]([O-])([O-])[O-]- InChIKey
SZXYULPSYMKLJL-UHFFFAOYSA-M- 분자식
- C51H45ClN2O4
- 평균 분자량
- 785.4 g/mol
- 단동위원소 질량
- 784.3067856
이름 및 식별자
- 우선 이름
- 2-((E)-2-[3-[(E)-2-(3,3-Dimethyl-1-phenyl-1,3-dihydro-2H-indol-2-ylidene)ethylidene]-2-(1-naphthyl)-1-cyclopenten-1-YL]ethenyl)-3,3-dimethyl-1-phenyl-3H-indolium perchlorate
- IUPAC
- 2-[2-[3-[2-(3,3-dimethyl-1-phenylindol-1-ium-2-yl)ethenyl]-2-naphthalen-1-ylcyclopent-2-en-1-ylidene]ethylidene]-3,3-dimethyl-1-phenylindole perchlorate
- 영어명
- 2-((E)-2-[3-[(E)-2-(3,3-Dimethyl-1-phenyl-1,3-dihydro-2H-indol-2-ylidene)ethylidene]-2-(1-naphthyl)-1-cyclopenten-1-yl]ethenyl)-3,3-dimethyl-1-phenyl-3H-indolium perchlorate
- 분자식
- C51H45ClN2O4
- 분자량
- 785.37
이름 및 동의어
262607-22-72-((E)-2-[3-[(E)-2-(3,3-DIMETHYL-1-PHENYL-1,3-DIHYDRO-2H-INDOL-2-YLIDENE)ETHYLIDENE]-2-(1-NAPHTHYL)-1-CYCLOPENTEN-1-YL]ETHENYL)-3,3-DIMETHYL-1-PHENYL-3H-INDOLIUM PERCHLORATEDTXSID007251852-[2-[3-[2-(3,3-dimethyl-1-phenylindol-1-ium-2-yl)ethenyl]-2-naphthalen-1-ylcyclopent-2-en-1-ylidene]ethylidene]-3,3-dimethyl-1-phenylindole;perchlorate2-(2-{3-[2-(3,3-Dimethyl-1-phenyl-1,3-dihydro-2H-indol-2-ylidene)ethylidene]-2-(naphthalen-1-yl)cyclopent-1-en-1-yl}ethen-1-yl)-3,3-dimethyl-1-phenyl-3H-indol-1-ium perchlorate2-(2-{3-[2-(3,3-Dimethyl-1-phenyl-1,3-dihydro-2H-indol-2-ylidene)ethylidene]-2-(naphthalen-1-yl)cyclopent-1-en-1-yl}ethenyl)-3,3-dimethyl-1-phenyl-3H-indol-1-ium perchlorate3H-INDOLIUM, 2-[2-[3-[(1,3-DIHYDRO-3,3-DIMETHYL-1-PHENYL-2H-INDOL-2-YLIDENE)ETHYLIDENE]-2-(1-NAPHTHALENYL)-1-CYCLOPENTEN-1-YL]ETHENYL]-3,3-DIMETHYL-1-PHENYL-, PERCHLORATE2-((e)-2-(3-((e)-2-(3,3-dimethyl-1-phenyl-1,3-dihydro-2h-indol-2-ylidene)ethylidene)-2-(1-naphthyl)-1-cyclopenten-1-yl)ethenyl)-3,3-dimethyl-1-phenyl-3h-indolium perchlorate
물성
구조 계산 물성
- 극성 표면적
- 80.5 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 58
- 형식 전하
- 0
- 복잡도
- 1,490
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